9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene

C47H36 — CID 123530986

IUPAC9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(C4=C5C=CC=CC5CCC4)cc3)c2c1
InChIInChI=1S/C47H36/c1-31-20-29-44-45(30-31)47(37-27-23-35(24-28-37)41-19-9-13-33-11-3-5-15-39(33)41)43-17-7-6-16-42(43)46(44)36-25-21-34(22-26-36)40-18-8-12-32-10-2-4-14-38(32)40/h2-8,10-12,14-18,20-30,33H,9,13,19H2,1H3
InChIKeyPCXGPCXXRBMKDB-UHFFFAOYSA-N
MW600.81 g/mol
LogP13.14
Rot. Bonds4

About 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene

9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 123530986) has the molecular formula C47H36 and a molecular weight of 600.81 g/mol. Its IUPAC name is 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene
PubChem CID123530986
Molecular FormulaC47H36
Molecular Weight600.81 g/mol
Exact Mass600.28
IUPAC Name9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(C4=C5C=CC=CC5CCC4)cc3)c2c1
InChIInChI=1S/C47H36/c1-31-20-29-44-45(30-31)47(37-27-23-35(24-28-37)41-19-9-13-33-11-3-5-15-39(33)41)43-17-7-6-16-42(43)46(44)36-25-21-34(22-26-36)40-18-8-12-32-10-2-4-14-38(32)40/h2-8,10-12,14-18,20-30,33H,9,13,19H2,1H3
InChIKeyPCXGPCXXRBMKDB-UHFFFAOYSA-N
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-7,7a-dihydrobenzo[a]anthracene
CID 163827100
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane
CID 143848458

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene (CID 123530986) is 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene is Cc1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(C4=C5C=CC=CC5CCC4)cc3)c2c1.
What is the InChIKey of 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene?
The InChIKey is PCXGPCXXRBMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36/c1-31-20-29-44-45(30-31)47(37-27-23-35(24-28-37)41-19-9-13-33-11-3-5-15-39(33)41)43-17-7-6-16-42(43)46(44)36-25-21-34(22-26-36)40-18-8-12-32-10-2-4-14-38(32)40/h2-8,10-12,14-18,20-30,33H,9,13,19H2,1H3.
What are the key properties of 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene?
9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene has a molecular weight of 600.81 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)phenyl]-2-methyl-10-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 123530986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).